Molecule

ID:30337

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₂
Molecular Mass
258.31562
Exact Mass
258.13682783
Charge
0
InChI
InChI=1S/C15H18N2O2/c1-18-14-6-5-12(8-15(14)19-2)9-17-11-13-4-3-7-16-10-13/h3-8,10,17H,9,11H2,1-2H3
InChIKey
VFCPBLWFLZVXFA-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CNCc2cccnc2)ccc1OC
Isomeric Smiles
c1(c(ccc(c1)CNCc1cnccc1)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0583636
LogD (pH = 7.4)
0.62682563
Log P
1.7230529
Molar Refractivity
74.6881
Polarizability
29.265804
Polar Surface Area
43.38
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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